SCHEMBL1900984

SCHEMBL1900984

O=C(O)NC1(c2ccc(-c3oc4ncc(-c5cccnc5)nc4c3-c3ccccc3)cc2)CCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 8/20 0.40
DYRK1A Q13627 1/20 0.39
TACR3 P29371 1/20 0.37
GSK3B P49841 2/20 0.37
AKT2 P31751 1/20 0.37
IDO1 P14902 1/20 0.37
ATR Q13535 3/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
KDR P35968 1/20 0.35
PDE2A O00408 1/20 0.35
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCD Q05655 1/20 0.34
SCN9A Q15858 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14118957 0.94 TACR3 (0.41) AKT1TACR3PDE2ASCN9A
SCHEMBL14118904 0.93 TACR3 (0.37) AKT1TACR3ATRPDE2ASCN9A
SCHEMBL1903041 0.91 AKT1 (0.38) AKT1TACR3PDE2ASCN9A
SCHEMBL14119116 0.89 AKT1 (0.42) AKT1DYRK1AGSK3BAKT2IDO1
SCHEMBL12095412 0.88 TACR3 (0.38) AKT1TACR3AKT2PDE2ASCN9A
SCHEMBL1904772 0.88 ROCK2 (0.42) AKT1TACR3AKT2MAPK1PDE2A
SCHEMBL1906672 0.88 TACR3 (0.38) AKT1TACR3PDE2ASCN9A
SCHEMBL14118751 0.87 TACR3 (0.34) AKT1TACR3AKT2ATRPDE2A
SCHEMBL1907030 0.87 CHEK1 (0.36) AKT1DYRK1ATACR3GSK3BAKT2
SCHEMBL1906320 0.87 ATR (0.41) AKT1TACR3AKT2ATRKDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309739-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2012-12-06 US disclosed
EP-2496566-A1 AKT / PKB INHIBITORS Almac Discovery Limited (GB) 2012-09-12 EP disclosed
WO-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120309739-A1 AKT / PKB INHIBITORS AKT1, AKT2, AKT3 AKT1 1/4885DYRK1A 1143/4885TACR3 3761/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.